2-(2,6-dimethylmorpholin-4-yl)acetonitrile

• ChemBase ID: 253551
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: N1(CC(OC(C1)C)C)CC#N
• Canonical SMILES: CC1OC(C)CN(C1)CC#N
• InChI: InChI=1S/C8H14N2O/c1-7-5-10(4-3-9)6-8(2)11-7/h7-8H,4-6H2,1-2H3
• InChIKey: PPVYBUDZLWUTPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylmorpholin-4-yl)acetonitrile
• IUPAC Traditional name: 2-(2,6-dimethylmorpholin-4-yl)acetonitrile
• Synonyms: (2,6-dimethylmorpholin-4-yl)acetonitrile

Database IDs

• MDL Number: MFCD09373421
• PubChem SID: 164309461
• PubChem CID: 16227891

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.32292965
• LogD (pH = 7.4): 0.34052226
• Log P: 0.34075123
• Molar Refractivity: 42.9641 cm^3
• Polarizability: 16.800053 Å^3
• Polar Surface Area: 36.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.634

Product Information

• Purity: 95%